Electronic structure and band alignment of zinc nitride, Zn3N2

Band alignment in SnS thin-film solar cells: Possible origin of the low conversion efficiency

(2013) Lee A. Burton et al.   APPLIED PHYSICS LETTERS

Effect of the oxidation temperature on microstructure and conductivity of ZnxNy thin films and their conversion into p-type ZnO:N films

(2013) N.H. Erdogan et al.   APPLIED SURFACE SCIENCE

Band gaps from the Tran-Blaha modified Becke-Johnson approach: A systematic investigation

(2013) Hong Jiang   JOURNAL OF CHEMICAL PHYSICS

Dicalcium nitride as a two-dimensional electride with an anionic electron layer

(2013) Kimoon Lee et al.   NATURE

Band alignment of rutile and anatase TiO2

(2013) David O. Scanlon et al.   NATURE MATERIALS

Band widths and gaps from the Tran-Blaha functional: Comparison with many-body perturbation theory

(2013) David Waroquiers et al.   PHYSICAL REVIEW B

Electron excess in alkaline earth sub-nitrides: 2D electron gas or 3D electride?

(2013) Aron Walsh et al.   Journal of Materials Chemistry C

Detailed check of the LDA+U and GGA+U corrected method for defect calculations in wurtzite ZnO

(2012) Gui-Yang Huang et al.   COMPUTER PHYSICS COMMUNICATIONS

Environment-dependent nanomorphology of TiN: the influence of surface vacancies

(2012) Taehun Lee et al.   Nanoscale

Hybrid density functional study of band alignment in ZnO–GaN and ZnO–(Ga1−xZnx)(N1−xOx)–GaN heterostructures

(2012) Zhenhai Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Electronic properties of lanthanide oxides from theGWperspective

(2012) Hong Jiang et al.   PHYSICAL REVIEW B

Benchmark ofGWmethods for azabenzenes

(2012) Noa Marom et al.   PHYSICAL REVIEW B

Microscopic origins of electron and hole stability in ZnO

(2011) C. Richard A. Catlow et al.   CHEMICAL COMMUNICATIONS

Hybrid functional investigations of band gaps and band alignments for AlN, GaN, InN, and InGaN

(2011) Poul Georg Moses et al.   JOURNAL OF CHEMICAL PHYSICS

Playing with Dimensions: Rational Design for Heteroepitaxial p–n Junctions

(2011) Tae Il Lee et al.   NANO LETTERS

Structural, electronic and thermodynamic properties of cubic Zn3N2 under high pressure from first-principles calculations

(2011) Zuo Li et al.   PHYSICA B-CONDENSED MATTER

Density-based mixing parameter for hybrid functionals

(2011) Miguel A. L. Marques et al.   PHYSICAL REVIEW B

Structural and electrical characteristics of high quality (100) orientated-Zn3N2 thin films grown by radio-frequency magnetron sputtering

(2010) G. Z. Xing et al.   JOURNAL OF APPLIED PHYSICS

Electronic structure calculations with the Tran-Blaha modified Becke-Johnson density functional

(2010) David J. Singh   PHYSICAL REVIEW B

Impact of air exposure on the chemical and electronic structure of ZnO:Zn3N2 thin films

(2009) M. Bär et al.   APPLIED PHYSICS LETTERS

Defect complexes and cluster doping of InN: First-principles investigations

(2009) X. M. Duan et al.   PHYSICAL REVIEW B

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS